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<p>A comprehensive structural analysis of novel 2D-Mn<sub>2</sub>O<sub>3</sub> under biaxial strain has been performed through density functional&#xa0;theory&#xa0;(DFT) approach. It is found as an indirect band gap magnetic semiconductor with a total spin magnetic moment of 16 µ<sub>B</sub> per unit cell. The impact of tensile and compressive strains on the magnetic state and band gap of 2D-Mn<sub>2</sub>O<sub>3</sub> has also been investigated. Our findings indicate that the band gap of 2D-Mn<sub>2</sub>O<sub>3</sub> is highly influenced by both strains whereas its ground state remains unaffected. All these desired properties render 2D-Mn<sub>2</sub>O<sub>3</sub> as a promising candidate for spintronics and memory-based devices.</p> Graphical abstract <p></p>

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Robust strain-mediated ferromagnetism of 2D-Mn2O3: A DFT study

  • 期刊论文

  • 发表日期：

    2025年3月24日

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  • Pankaj Kumar,
  • Renu Singla,
  • Rahul Singla,
  • Sarvesh Kumar,
  • Hardev S. Saini,
  • Manish K. Kashyap

摘要

A comprehensive structural analysis of novel 2D-Mn2O3 under biaxial strain has been performed through density functional theory (DFT) approach. It is found as an indirect band gap magnetic semiconductor with a total spin magnetic moment of 16 µB per unit cell. The impact of tensile and compressive strains on the magnetic state and band gap of 2D-Mn2O3 has also been investigated. Our findings indicate that the band gap of 2D-Mn2O3 is highly influenced by both strains whereas its ground state remains unaffected. All these desired properties render 2D-Mn2O3 as a promising candidate for spintronics and memory-based devices.

Graphical abstract